[(3R)-3-methyl-6-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] ethanoate

Systemtic Name: [(3R)-3-methyl-6-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] ethanoate Openeye Name: [(1R)-1-ethyl-1-methyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] acetate CAS Name: acetic acid [(3R)-3-methyl-6-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]hex-4-yn-3-yl] ester IUPAC Name: [(3R)-3-methyl-6-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-ethyl-1-methyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] ester Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC[NH+]1CCCCC1C2=CN=CC=C2)OC(=O)C

Isomeric SMILES

CC[C@](C)(C#CC[NH+]1CCCC[C@H]1C2=CN=CC=C2)OC(=O)C

InChI

InChI=1S/C19H26N2O2/c1-4-19(3,23-16(2)22)11-8-14-21-13-6-5-10-18(21)17-9-7-12-20-15-17/h7,9,12,15,18H,4-6,10,13-14H2,1-3H3/p+1/t18-,19+/m0/s1